Mol:FL3FCBNS0001

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FL3FCBNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.2249    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2249   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2240    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244    0.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2231   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2231    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3377    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8074    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2770    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7244   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7235   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5821    0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821    1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8676    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    1.8676    1.3256
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.5821    0.7372
S  SKP  8
ID	FL3FCBNS0001
KNApSAcK_ID	C00001016
NAME	Apigenin 7,4'-dimethyl ether;5-Hydroxy-4',7-dimethoxyflavone;Genkwanin 4'-methyl ether;7-O-Methylacacetin;Acacetin 7-methyl ether;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	5128-44-9
FORMULA	C17H14O5
EXACTMASS	298.084123558
AVERAGEMASS	298.29006
SMILES	COc(c3)ccc(c3)C(=C1)Oc(c2)c(c(O)cc(OC)2)C(=O)1
M  END

</pre>

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